2-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
Formula:C17H15N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C17H15N2O3ClS |
| Smiles | OC(c1c(/C=N\NC(CCSc(cc2)ccc2Cl)=O)cccc1)=O |
| InChI | InChI=1S/C17H15ClN2O3S/c18-13-5-7-14(8-6-13)24-10-9-16(21)20-19-11-12-3-1-2-4-15(12)17(22)23/h1-8,11H,9-10H2,(H,20,21)(H,22,23) |
| InChIK | DLBXDRYHMDOYCW-UHFFFAOYSA-N |
| TotalMolweight | 362.836 |
| Molweight | 362.836 |
| MonoisotopicMass | 362.04919 |
| CLogP | 3.9599 |
| CLogS | -5.282 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.52 |
| Relative PSA | 0.29331 |
| PolarSurfaceArea | 104.06 |
| Druglikeness | 4.3635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
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